SCHEMBL8479745

SCHEMBL8479745

O=C(C1CCc2nc[nH]c2C1)N1CC(c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.48
HTR3A P46098 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
ADRA1D P25100 1/20 0.40
IDH1 O75874 11/20 0.39
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8538099 0.99 ADRA1A (0.47) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL8538946 0.93 HTR3A (0.43) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8539599 0.92 HTR3A (0.43) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL8540944 0.92 HTR3A (0.43) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL8479741 0.92 ADRA1A (0.40) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8538095 0.91 ADRA1A (0.40) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL8525225 0.91 HTR3A (0.42) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL8542709 0.90 HTR3A (0.41) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8540902 0.90 HTR3A (0.41) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL8538551 0.89 ADRA1A (0.44) ADRA1AHTR3AADRA2AADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5936098-A Process for producing indoline compounds and intermediates for the production of the same TOKYO TANABE COMPANY LIMITED (JP) 1999-08-10 US claimed
EP-0721949-B1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE CO (JP) 1998-01-07 EP claimed
EP-0810214-A1 PROCESS FOR PRODUCING INDOLINE COMPOUNDS AND INTERMEDIATES FOR THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1997-12-03 EP claimed
US-5677326-A GASTROINTESTINAL DISORDERS TOKYO TANABE COMPANY LIMITED (JP) 1997-10-14 US claimed
EP-0721949-A1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE COMPANY LIMITED (JP) 1996-07-17 EP claimed
JP-8269050-A None JP disclosed
US-5936098-A Process for producing indoline compounds and intermediates for the production of the same TOKYO TANABE COMPANY LIMITED (JP) 1999-08-10 US disclosed
EP-0721949-B1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE CO (JP) 1998-01-07 EP disclosed
EP-0810214-A1 PROCESS FOR PRODUCING INDOLINE COMPOUNDS AND INTERMEDIATES FOR THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1997-12-03 EP disclosed
US-5677326-A GASTROINTESTINAL DISORDERS TOKYO TANABE COMPANY LIMITED (JP) 1997-10-14 US disclosed
JP-H08269050-A PRODUCTION OF NEW INDOLINE COMPOUND AND ITS PRODUCING INTERMEDIATE TOKYO TANABE CO LTD 1996-10-15 JP disclosed
EP-0721949-A1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE COMPANY LIMITED (JP) 1996-07-17 EP disclosed